Vitas-M small molecule compound
(4Z)-4-{[5-(3-bromophenyl)furan-2-yl]methylidene}-2-(3-chlorophenyl)-5-hydroxy-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL383216
SMILES Clc1cccc(c1)N1N=C(/C(=C/c2ccc(o2)c2cccc(c2)Br)/C1=O)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H12BrClN2O3 MW 443.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12BrClN2O3/c21-13-4-1-3-12(9-13)18-8-7-16(27-18)11-17-19(25)23-24(20(17)26)15-6-2-5-14(22)10-15/h1-11H,(H,23,25)/b17-11-InChIKey
BFALLFKMZIWRHO-BOPFTXTBSA-NSynonyms
(4Z)4((5(3BROMOPHENYL)FURAN2YL)METHYLIDENE)1(3CHLOROPHENYL)PYRAZOLIDINE35DIONE
(4Z)4((5(3BROMOPHENYL)FURAN2YL)METHYLIDENE)2(3CHLOROPHENYL)5HYDROXY24DIHYDRO3HPYRAZOL3ONE
C1=CC(=CC(=C1)Br)C2=CC=C(O2)C=C3C(=O)NN(C3=O)C4=CC(=CC=C4)Cl
Clc1cccc(c1)N1N=C(C(=Cc2ccc(o2)c2cccc(c2)Br)C1=O)O
InChI=1SC20H12BrClN2O3c211341312(913)188716(2718)111719(25)2324(20(17)26)1562514(22)1015h111H(H2325)b1711
MFCD28952709
ZINC000001215351
ZINC01215351
ZINC1215351
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